AA54581
1218790-55-6 | 2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54581
ChemicalName
2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid
CasNumber
1218790-55-6
MolecularFormula
C8H7BF3NO3
MolecularWeight
232.9523
MdlNumber
MFCD13195676
Smiles
NC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AA54581
ChemicalName: 2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid
CasNumber: 1218790-55-6
MolecularFormula: C8H7BF3NO3
MolecularWeight: 232.9523
MdlNumber: MFCD13195676
Smiles: NC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AA54581
ChemicalName:
2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid
CasNumber:
1218790-55-6
MolecularFormula:
C8H7BF3NO3
MolecularWeight:
232.9523
MdlNumber:
MFCD13195676
Smiles:
NC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: AA54582
ChemicalName: [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester
CasNumber: 1218790-54-5
MolecularFormula: C11H14BN3O3
MolecularWeight: 247.0582
MdlNumber: MFCD11867869
Smiles: CC1(C)OB(OC1(C)C)c1cnc2c(c1)non2
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AA54582
ChemicalName:
[1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester
CasNumber:
1218790-54-5
MolecularFormula:
C11H14BN3O3
MolecularWeight:
247.0582
MdlNumber:
MFCD11867869
Smiles:
CC1(C)OB(OC1(C)C)c1cnc2c(c1)non2
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nc(c(c1)B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1nc(c(c1)B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[Si](C#Cc1ccccc1B1OC(C(O1)(C)C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[Si](C#Cc1ccccc1B1OC(C(O1)(C)C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__